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CHEBI:58230 - 2-(β-D-glucopyranosyluronate)-D-glucuronate(2−)

ChEBI IDCHEBI:58230
ChEBI Name2-(β-D-glucopyranosyluronate)-D-glucuronate(2−)
Stars
ASCII Name2-(beta-D-glucopyranosyluronate)-D-glucuronate(2-)
DefinitionA carbohydrate acid anion arising from deprotonation of both carboxy groups of 2-(β-D-glucopyranosyluronic acid)-D-glucuronic acid; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC12H16O13
Net Charge-2
Average Mass368.247
Monoisotopic Mass368.06019
SMILESO=C([O-])[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](C(=O)[O-])O[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H18O13/c13-1-2(14)7(10(20)21)24-12(5(1)17)25-8-4(16)3(15)6(9(18)19)23-11(8)22/h1-8,11-17,22H,(H,18,19)(H,20,21)/p-2/t1-,2-,3-,4-,5+,6-,7-,8+,11+,12-/m0/s1
InChIKeyIMNADAQGVSDVMI-CCLDAEICSA-L
ChEBI Ontology
Outgoing Relation(s)
2-(β-D-glucopyranosyluronate)-D-glucuronate(2−) (CHEBI:58230) is a carbohydrate acid anion (CHEBI:33721)
2-(β-D-glucopyranosyluronate)-D-glucuronate(2−) (CHEBI:58230) is a dicarboxylic acid dianion (CHEBI:28965)
2-(β-D-glucopyranosyluronate)-D-glucuronate(2−) (CHEBI:58230) is conjugate base of 2-(β-D-glucopyranosyluronic acid)-D-glucuronic acid (CHEBI:17676)
Incoming Relation(s)
2-(β-D-glucopyranosyluronic acid)-D-glucuronic acid (CHEBI:17676) is conjugate acid of 2-(β-D-glucopyranosyluronate)-D-glucuronate(2−) (CHEBI:58230)
IUPAC Name 
β-D-glucopyranuronosyl-(1→2)-β-D-glucopyranuronate
Synonyms  Source
2-(β-D-glucopyranosyluronate)-D-glucuronate dianionChEBI
2-(β-D-glucopyranosyluronate)-D-glucuronateChEBI
2-O-β-D-glucopyranuronosyl-β-D-glucopyranuronateIUPAC
UniProt Name  Source
2-(β-D-glucuronosyl)-D-glucuronateUniProt